Dataset

Clofentezine

This MassBank record with Accession MSBNK-Eawag-EQ00304407 contains the MS2 mass spectrum of Clofentezine with the InChIkey UXADOQPNKNTIHB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H
SMILES C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl
InChI Key UXADOQPNKNTIHB-UHFFFAOYSA-N
Molecular Formula C14H8Cl2N4
Exact Mass 302.013 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00304407
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:34:32.206616
MetadataModified 2025-02-09T10:34:32.376465
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18576 KEGG Ligand
CHEMBL17888 ChEMBL
39315 ChEBI
HMDB0250340 Human Metabolome Database
ZINC000000403224 ZINC
DTXSID9023881 EPA CompTox Dashboard
J20.649K Nikkaji
HY-B2066 MedChemExpress
BOQDES CCDC
CB1683192 ChemicalBook
212878 Brenda
SCHEMBL74002 SureChEMBL
73670 PubChem
PD011973 ProbesDrugs
14751825 PubChem: Thomson Pharma
74115-24-5 ACToR
JS4U0R0033 FDA SRS
501666 eMolecules
The data in this table is sourced from UniChem at EBI.